1-cyclopentyl-4-oxidanylidene-N3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-N5-prop-2-enyl-pyridine-3,5-dicarboxamide

Systemtic Name: 1-cyclopentyl-4-oxidanylidene-N3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-N5-prop-2-enyl-pyridine-3,5-dicarboxamide Openeye Name: N5-allyl-N3-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-cyclopentyl-4-oxo-pyridine-3,5-dicarboxamide CAS Name: 1-cyclopentyl-4-oxo-N3-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-N5-prop-2-enylpyridine-3,5-dicarboxamide IUPAC Name: 3-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-cyclopentyl-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide Traditional Name: N'-allyl-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-cyclopentyl-4-keto-dinicotinamide Formula: C26H33N4O3+ MolecularWeight: 449.56522

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CN(C=C(C1=O)C(=O)NC2CC[NH+](C2)CC3=CC=CC=C3)C4CCCC4

Isomeric SMILES

C=CCNC(=O)C1=CN(C=C(C1=O)C(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3)C4CCCC4

InChI

InChI=1S/C26H32N4O3/c1-2-13-27-25(32)22-17-30(21-10-6-7-11-21)18-23(24(22)31)26(33)28-20-12-14-29(16-20)15-19-8-4-3-5-9-19/h2-5,8-9,17-18,20-21H,1,6-7,10-16H2,(H,27,32)(H,28,33)/p+1/t20-/m0/s1